Structure and magnetic properties of the Al1−xGaxFeO3 family of oxides: A combined experimental and theoretical study |
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Authors: | Rana Saha AK Bera Y Sundarayya SM Yusuf A Sundaresan CNR Rao |
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Institution: | a Chemistry and Physics of Materials Unit, New Chemistry Unit, Theoretical Science Unit and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560 064, India b Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India |
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Abstract: | Magnetic properties of the Al1−xGaxFeO3 family of oxides crystallizing in a non-centrosymmetric space group have been investigated in detail along with structural aspects by employing X-ray and neutron diffraction, Mössbauer spectroscopy and other techniques. The study has revealed the occurrence of several interesting features related to unit cell parameters, site disorder and ionic size. Using first-principles density functional theory based calculations, we have attempted to understand how magnetic ordering and related properties in these oxides depend sensitively on disorder at the cation site. The origin and tendency of cations to disorder and the associated properties are traced to the local structure and ionic sizes. |
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Keywords: | AlFeO3 GaFeO3 Ferrimagnetism Cation disorder Neutron diffraction Metal oxide Mö ssbauer spectroscopy |
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